4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol (CAS 585559-97-3) is a chemical compound with molecular formula C17H16FN5S and molecular weight 341.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((4-(Dimethylamino)benzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol, 4-[(Z)-(4-dimethylaminophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione, 644-024-5, RefChem:509302
| Molecular Formula | C17H16FN5S |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 3.69499 |
| Topological Polar Surface Area | 49.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.11105 |
| Heavy Atoms | 24 |
| Complexity | 907.404 |
Chemical Identifiers
| CAS Number | 585559-97-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=N\N2C(=NNC2=S)C3=CC=C(C=C3)F |
Product Overview
4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol (CAS 585559-97-3), with molecular formula C17H16FN5S and molecular weight 341.11 g/mol. IUPAC: 4-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.69499 indicates that 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.21 Ų, 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol is 585559-97-3.
What is the molecular formula of 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol is C17H16FN5S.
What is the molecular weight of 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol is 341.11 g/mol.
Where can I buy 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(Dimethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.